![2-Isobutyramido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid structure](/static/products/3129/312940-40-2.webp)
2-Isobutyramido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: Oprea1_614119|BAS 06104494|AE-848/34079041|SR-01000438528-1|2-isobutyramido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|2-(isobutyrylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|2-Isobutyrylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid|2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|2-[(2-methylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09293 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09293 |
| Monoisotopic Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 312940-40-2 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O |
| InChIKey | ULJGUGMJUHAPRS-UHFFFAOYSA-N |
Product Overview
2-Isobutyramido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (CAS 312940-40-2), with molecular formula C13H17NO3S and molecular weight 267.09293 g/mol. IUPAC: 2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.